1,3,7-三甲基尿酸
TL;DR: 1,3,7-三甲基尿酸 (CAS 5415-44-1) is a chemical compound with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-三甲基尿酸
1,3,7-trimethyl-9H-purine-2,6,8-trione
Also Known As: 1,3,7-Trimethyluric acid, Trimethyl uric acid, 8-Oxocaffeine, 8-oxy-caffeine, 1,3,7-trimethylurate
| Molecular Formula | C8H10N4O3 |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.07529 |
| Heavy Atoms | 15 |
| Complexity | 414.0 |
| Solubility | 5.5 mg/mL at 15 °C |
Chemical Identifiers
| CAS Number | 5415-44-1 |
|---|---|
| SMILES | CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C |
| InChIKey | BYXCFUMGEBZDDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,7-三甲基尿酸 (CAS 5415-44-1), with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol. IUPAC: 1,3,7-trimethyl-9H-purine-2,6,8-trione.
Chemical Property Profile of 1,3,7-三甲基尿酸
Property Insights of 1,3,7-三甲基尿酸
The XLogP value of -0.4 indicates that 1,3,7-三甲基尿酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-三甲基尿酸. Following Lipinski's Rule of Five, 1,3,7-三甲基尿酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,7-三甲基尿酸?
The CAS number of 1,3,7-三甲基尿酸 is 5415-44-1.
What is the molecular formula of 1,3,7-三甲基尿酸?
The molecular formula of 1,3,7-三甲基尿酸 is C8H10N4O3.
What is the molecular weight of 1,3,7-三甲基尿酸?
The molecular weight of 1,3,7-三甲基尿酸 is 210.08 g/mol.
Where can I buy 1,3,7-三甲基尿酸?
You can request a quote for 1,3,7-三甲基尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-三甲基尿酸?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-三甲基尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.